General Description¶
Omnisoot consists of six sub-models:
Reactors provide zero-dimensional approximate representations of complex reactive flows in the form of ODE equations that track the changes in the mass and energy of gas phase, mass fraction of individual gaseous species, elemental (carbon and hydrogen) mass of solid particles, and number density of agglomerates and primary particles of solid particles.
Particle Dynamics Models describe morphological features of solid particles in terms of agglomerate characteristic diameters and calculate collision rate of particles. Particle dyanmics models determine the contribution of inception, surface growth, oxidation and coagulation to tracked particle properties depending on the assumptions on particle size distribution.
PAH Growth Models calculate the rate of inception and surface growth via PAH adsorption from aromatic precursors.
Surface Reactions Models uses hydrogen-abstraction-acetylene(\(\mathrm{C}_2\mathrm{H}_2\))-addition formulation to compute the rate of surface growth by \(\mathrm{C}_2\mathrm{H}_2\) and oxidation by \(\mathrm{O_2}\) and \(\mathrm{OH}\).
The structure of Omnisoot package and sub-models.¶